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{
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{
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"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
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{
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"structure_string": "Hg8 I16\n1.0\n8.912005 0.000000 -0.000000\n0.000000 8.912005 -0.000000\n-0.000000 -0.000000 12.391895\nHg I\n8 16\ndirect\n-0.001797 0.750000 0.122770 Hg\n0.250000 0.001797 0.377230 Hg\n0.498203 0.250000 0.877230 Hg\n0.250000 0.498203 0.377230 Hg\n0.501797 0.750000 0.122770 Hg\n0.750000 -0.001797 0.622770 Hg\n0.750000 0.501797 0.622770 Hg\n0.001797 0.250000 0.877230 Hg\n0.516636 0.016636 0.250000 I\n0.983364 0.483364 0.250000 I\n0.750000 0.750000 0.476432 I\n0.250000 0.750000 0.980632 I\n0.483364 0.983364 0.750000 I\n0.250000 0.750000 0.519367 I\n0.250000 0.250000 0.023567 I\n0.483364 0.516636 0.750000 I\n0.016636 0.516636 0.750000 I\n0.750000 0.250000 0.480632 I\n0.516636 0.483364 0.250000 I\n0.983364 0.016636 0.250000 I\n0.250000 0.250000 0.523567 I\n0.750000 0.250000 0.019367 I\n0.016636 0.983364 0.750000 I\n0.750000 0.750000 0.976432 I\n",
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"elements": [
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{
"id": "jvasp-66141",
"created_at": "2022-09-04T14:35:57.162878Z",
"updated_at": "2022-09-04T14:35:57.162909Z",
"structure_string": "Ba1 Nb1 Te1\n1.0\n0.000000 3.947415 3.947415\n3.947415 0.000000 3.947415\n3.947415 3.947415 0.000000\nBa Nb Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500001 0.500001 Te\n",
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{
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"created_at": "2022-09-04T14:35:50.357945Z",
"updated_at": "2022-09-04T14:35:50.357971Z",
"structure_string": "Hg8 I16\n1.0\n8.443064 -0.000000 -2.823481\n-0.944212 8.390101 -2.823481\n-0.038137 -0.042670 13.921361\nHg I\n8 16\ndirect\n0.185319 0.689157 0.378315 Hg\n0.189157 0.685319 0.878315 Hg\n0.692995 0.689157 0.378315 Hg\n0.307004 0.310843 0.621685 Hg\n0.810843 0.314681 0.121685 Hg\n0.189157 0.192996 0.878315 Hg\n0.814680 0.310843 0.621685 Hg\n0.810843 0.807004 0.121685 Hg\n0.489298 0.239299 0.478598 I\n0.609572 0.359572 0.250000 I\n0.738159 0.488159 0.976318 I\n0.739298 0.989299 0.978598 I\n0.140428 0.890428 0.250000 I\n0.609572 0.890428 0.250000 I\n0.260701 0.010701 0.021402 I\n0.988159 0.238159 0.476318 I\n0.140428 0.359572 0.250000 I\n0.390427 0.640428 0.750000 I\n0.261841 0.511841 0.023682 I\n0.390427 0.109572 0.750000 I\n0.011841 0.761841 0.523682 I\n0.510701 0.760701 0.521402 I\n0.859572 0.109572 0.750000 I\n0.859572 0.640428 0.750000 I\n",
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{
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"created_at": "2022-09-04T14:38:37.866852Z",
"updated_at": "2022-09-04T14:38:37.866877Z",
"structure_string": "Ca1 Br2\n1.0\n5.394567 -0.000000 -0.000000\n-2.697283 4.671832 0.000000\n0.000000 0.000000 4.881106\nCa Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:36:11.413731Z",
"updated_at": "2022-09-04T14:36:11.413754Z",
"structure_string": "Ba4 In1 Ge1\n1.0\n0.000000 4.973344 4.973344\n4.973344 -0.000000 4.973344\n4.973344 4.973344 0.000000\nBa In Ge\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ge\n",
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{
"id": "jvasp-86824",
"created_at": "2022-09-04T14:35:56.008261Z",
"updated_at": "2022-09-04T14:35:56.008285Z",
"structure_string": "Sb4 I12\n1.0\n7.341914 0.093416 0.000000\n-2.962922 8.099434 0.000000\n0.000000 0.000000 10.980844\nSb I\n4 12\ndirect\n0.040517 0.667078 0.673872 Sb\n0.040517 0.167078 0.826127 Sb\n0.959482 0.832922 0.173872 Sb\n0.959482 0.332922 0.326128 Sb\n0.225915 0.699239 0.442130 I\n0.340172 0.458665 0.742091 I\n0.340172 0.958665 0.757908 I\n0.777706 0.325269 0.907148 I\n0.222294 0.674731 0.092852 I\n0.777706 0.825268 0.592852 I\n0.774085 0.300761 0.557869 I\n0.225914 0.199239 0.057869 I\n0.774085 0.800761 0.942130 I\n0.222294 0.174732 0.407148 I\n0.659827 0.041335 0.242092 I\n0.659827 0.541335 0.257908 I\n",
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{
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"created_at": "2022-09-04T14:36:09.228510Z",
"updated_at": "2022-09-04T14:36:09.228537Z",
"structure_string": "Ba4 Mo1 Pb1\n1.0\n0.000000 4.973213 4.973213\n4.973213 0.000000 4.973213\n4.973213 4.973213 -0.000000\nBa Mo Pb\n4 1 1\ndirect\n0.123531 0.625489 0.625489 Ba\n0.625489 0.625489 0.625489 Ba\n0.625489 0.123531 0.625489 Ba\n0.625489 0.625489 0.123531 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pb\n",
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"created_at": "2022-09-04T14:36:22.141603Z",
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"structure_string": "Ba1 Sn1 Sb1\n1.0\n0.000000 3.947181 3.947181\n3.947181 0.000000 3.947181\n3.947181 3.947181 0.000000\nBa Sn Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n",
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